4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide

C13H18N2O3 — CID 83096488

IUPAC4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
SMILESCc1cc(N2CCOCC2C(N)=O)ccc1CO
InChIInChI=1S/C13H18N2O3/c1-9-6-11(3-2-10(9)7-16)15-4-5-18-8-12(15)13(14)17/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyAMKZZSWCBCQTHE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.18
Rot. Bonds3

About 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide

4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide (PubChem CID 83096488) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
PubChem CID83096488
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
SMILESCc1cc(N2CCOCC2C(N)=O)ccc1CO
InChIInChI=1S/C13H18N2O3/c1-9-6-11(3-2-10(9)7-16)15-4-5-18-8-12(15)13(14)17/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,14,17)
InChIKeyAMKZZSWCBCQTHE-UHFFFAOYSA-N
XLogP0.18
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide?
The IUPAC name of 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide (CID 83096488) is 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide is Cc1cc(N2CCOCC2C(N)=O)ccc1CO.
What is the InChIKey of 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide?
The InChIKey is AMKZZSWCBCQTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-11(3-2-10(9)7-16)15-4-5-18-8-12(15)13(14)17/h2-3,6,12,16H,4-5,7-8H2,1H3,(H2,14,17).
What are the key properties of 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide?
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).